이름: 5-cyano-6-(2-nitro-5-phenoxy-phenyl)-4-(tetrahydro-pyran-4-yl)-hex-5-enoic acid cyclohexyl-methyl-amide
SMILES:
CN(C(=O)CCC(C(C#N)=Cc1cc(Oc2ccccc2)ccc1[N+](=O)[O-])C1CCOCC1)C1CCCCC1Molecular Processing
Molecular formula
C31H37N3O5
Molecular weight
531.65
Exact mass
531.2733
XLogP
6.91
TPSA
105.7
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.484
Molar refractivity
149.11
Supplementary Information
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